methyl N-[(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanoyl]carbamate

Systemtic Name: methyl N-[(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanoyl]carbamate Openeye Name: methyl N-[(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanoyl]carbamate CAS Name: N-[(2R)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-1-oxopropyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanoyl]carbamate Traditional Name: N-[(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanoyl]carbamic acid methyl ester Formula: C17H26N3O3+ MolecularWeight: 320.40664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)C(C)C(=O)NC(=O)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)[C@H](C)C(=O)NC(=O)OC)C

InChI

InChI=1S/C17H25N3O3/c1-12-6-5-7-15(13(12)2)20-10-8-19(9-11-20)14(3)16(21)18-17(22)23-4/h5-7,14H,8-11H2,1-4H3,(H,18,21,22)/p+1/t14-/m1/s1